864 Lattice="21.486786817298473 0.0 0.0 0.0 21.486786817298473 0.0 0.0 0.0 21.486786817298473" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2820.996708460633 stress="-22.940446189434823 0.5322235136406501 -0.30770976646024906 0.5322235136406501 -21.19837075794908 -2.113037313986439 -0.30770976646024906 -2.113037313986439 -22.767960162156513" pbc="F F F" Cu -0.02102430 -0.01990009 0.03013278 0.65103906 0.68384788 0.64736223 Cu 1.78233444 1.79866478 -0.01622325 -0.08448789 -0.21222979 0.19784563 Cu 1.79830420 -0.03411955 1.77947281 -0.10302265 0.19684751 -0.20654079 Cu 0.01034173 1.81684432 1.81716592 0.01900297 -0.34507168 -0.33814747 Cu 3.60706288 -0.03504885 -0.00100454 -0.08515278 0.46715392 0.42482437 Cu 5.39976913 1.74991260 0.02564147 -0.12882222 0.18604507 -0.09847721 Cu 5.35608206 -0.02889938 1.82326871 0.06732773 -0.07129507 -0.11700245 Cu 3.61097432 1.79278332 1.77105180 -0.29448946 -0.18138067 -0.03216991 Cu 7.14193324 -0.00780137 0.02014176 0.13837317 0.32206309 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0.03467956 Cu 17.93901023 1.80313769 1.81618596 -0.07961515 -0.28857095 -0.39848051 Cu -0.02316927 3.57645022 -0.00038170 0.41963893 -0.08812244 0.40495666 Cu 1.76347853 5.33773689 0.02916000 0.00650180 0.24048415 -0.23236630 Cu 1.81218552 3.58446178 1.81667269 -0.13117982 -0.20844246 -0.28310304 Cu 0.00804406 5.36504560 1.75764047 -0.14435045 0.08524061 0.13744105 Cu 3.54792817 3.61063428 -0.02250280 0.18301910 -0.27122844 0.01688922 Cu 5.33627276 5.37439154 -0.00889037 0.25519179 -0.06210782 -0.09594999 Cu 5.36730394 3.58601182 1.82014728 0.10945144 -0.14006162 -0.42381701 Cu 3.59448595 5.39517325 1.76385198 -0.10250381 -0.17335533 0.08461676 Cu 7.19535202 3.59260386 -0.00630234 -0.39397375 -0.23108068 -0.02985696 Cu 8.90423451 5.33912180 0.01561113 0.24478349 0.34793479 -0.14459876 Cu 8.96848228 3.56856602 1.76642935 -0.04415338 -0.14739950 0.36802133 Cu 7.17144304 5.34696503 1.79442238 -0.17228874 0.30862832 -0.09045383 Cu 10.73138098 3.59279976 0.03286814 0.19349346 -0.09320218 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1.80946534 -0.19047035 0.14647194 -0.33767256 Cu 3.55380843 12.55184348 1.76378541 0.20186043 -0.20656169 0.16157902 Cu 7.12142909 10.79539421 0.01247493 0.13332178 -0.11704845 -0.11489144 Cu 8.97874028 12.53149521 -0.03429730 -0.13045506 0.15607390 0.06745431 Cu 8.95644775 10.74057320 1.75502542 -0.09322534 0.18115578 0.12920039 Cu 7.15725062 12.54795938 1.81074602 0.13323740 -0.04673357 -0.24244275 Cu 10.76420379 10.77644772 -0.01290722 -0.13797987 -0.31731657 -0.04898064 Cu 12.50081774 12.49812300 0.03155657 0.21928949 0.25239043 -0.13647398 Cu 12.55420983 10.70983419 1.78409815 -0.35619950 0.33512658 0.12197160 Cu 10.72359431 12.54971538 1.81492636 0.11084582 -0.24660290 -0.10425775 Cu 14.28875162 10.71133370 0.00311684 0.30264910 0.23679628 -0.16169727 Cu 16.14328325 12.53374570 0.02852179 -0.21181037 0.03870382 -0.27352927 Cu 16.13914323 10.75450850 1.78994107 -0.12823181 -0.10412989 -0.01548339 Cu 14.34746164 12.51541490 1.79125134 -0.06375483 0.28360652 -0.09099293 Cu 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Cu 1.76319715 12.56511916 3.61195336 0.24514355 -0.30948064 -0.21431792 Cu 1.76389972 10.71454165 5.36137792 0.34433676 0.22537660 0.14894339 Cu 0.02918583 12.55996060 5.40857070 -0.31167729 -0.16764422 -0.13843980 Cu 3.59229695 10.71724645 3.58701460 -0.30000937 0.33595629 -0.07388055 Cu 5.38333671 12.53841859 3.55746617 -0.21528207 0.11604513 0.09250209 Cu 5.37554011 10.76319162 5.38870206 0.06070045 -0.11905993 -0.12259582 Cu 3.60722410 12.53697005 5.39319469 -0.22701284 -0.01929057 -0.24253417 Cu 7.14659527 10.72497975 3.54734971 0.21390200 0.19183112 0.23818390 Cu 8.93457135 12.56510175 3.58106287 0.08525670 -0.27680123 0.07249789 Cu 8.91400017 10.74198308 5.37633586 0.30969829 0.09573207 -0.18992488 Cu 7.17463166 12.52359540 5.34819230 -0.22514523 0.12660907 0.05857826 Cu 10.70939362 10.74012161 3.59754926 0.19744428 0.19503228 -0.25019916 Cu 12.55095353 12.54454999 3.58873852 -0.03308464 -0.38482741 -0.14160645 Cu 12.51548566 10.71763909 5.39327286 0.32247145 0.33222325 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3.61300809 -0.26002225 0.13740335 -0.17606486 Cu 8.93385081 19.67032968 3.54870827 0.21791099 0.12580287 0.22749032 Cu 8.93040616 17.93556560 5.40473768 0.26235962 -0.14085498 -0.15673997 Cu 7.14493424 19.69793167 5.33935571 0.02125621 0.08834568 0.11815183 Cu 10.72733043 17.87335242 3.55524336 0.08911403 0.27160305 0.16609599 Cu 12.56496969 19.69204058 3.60233769 -0.18066894 0.16056655 -0.10868509 Cu 12.50486905 17.92488213 5.38254128 0.23062563 -0.06648537 -0.22357159 Cu 10.74530377 19.68060718 5.36682579 -0.13982663 0.16263691 -0.19282859 Cu 14.30112565 17.90802403 3.57713814 0.07930039 -0.18747704 0.08275660 Cu 16.08472789 19.65476021 3.60855671 0.36731403 0.21122564 -0.22730413 Cu 16.08828891 17.88198001 5.38905867 0.27718969 0.01677782 -0.17965322 Cu 14.37236871 19.69798287 5.34657842 -0.28053438 0.11133805 0.28039989 Cu 17.92082671 17.90219945 3.56365764 -0.10861731 0.26456770 0.18648898 Cu 19.67347495 19.72881109 3.55627733 -0.46130866 -0.46012197 0.00462125 Cu 19.67046641 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1.78788812 3.55004945 8.96051821 -0.05376441 0.28462960 -0.15489894 Cu 0.03180602 5.37453076 8.97314822 -0.29863914 -0.13933717 -0.26463367 Cu 3.59381461 3.57040028 7.19498389 -0.13959716 0.25866726 -0.34987905 Cu 5.39779697 5.41113300 7.18171964 -0.28622082 -0.32847651 -0.15327494 Cu 5.34442893 3.56026340 8.92272395 0.24468182 0.14338687 0.25719145 Cu 3.57682730 5.39729018 8.95531110 0.00479030 -0.26325575 0.00494076 Cu 7.18668900 3.61066574 7.13928517 -0.24650844 -0.06910850 0.26597613 Cu 8.92697357 5.35545496 7.16623649 0.32617606 0.17808170 -0.08998421 Cu 8.96348848 3.60339723 8.93116791 -0.18991899 -0.31844641 0.20780737 Cu 7.12925550 5.38082572 8.97492407 0.21998203 -0.18028285 -0.20557231 Cu 10.75956278 3.54958216 7.17491302 -0.16533675 0.23217856 -0.14464797 Cu 12.51077581 5.37047332 7.15036235 0.24153304 -0.11259359 0.22585669 Cu 12.53507628 3.54998441 8.93769900 0.33925382 0.32021794 0.01877614 Cu 10.71913788 5.33728130 8.96126803 0.18843109 0.31197143 -0.19531260 Cu 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